SCHEMBL20480313

SCHEMBL20480313

CCC1(C(=O)OC)COc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
CHRNA7 P36544 1/20 0.37
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
SCN9A Q15858 1/20 0.36
PKM P14618 1/20 0.36
P2RX4 Q99571 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALOX15 P16050 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20480546 0.83 AKR1B1 (0.38) MAPTCHRNA7ALOX15NPC1ALDH1A1
SCHEMBL20480669 0.80 KDM4E (0.36) MAPTKDM4EATML3MBTL1GPR119
SCHEMBL20480304 0.78 MAPT (0.41) MAPTKDM4EATML3MBTL1KMT2A
SCHEMBL20480520 0.75 GPR119 (0.36) MAPTKDM4EATML3MBTL1GPR119
SCHEMBL14968487 0.74 L3MBTL1 (0.41) MAPTKDM4EATML3MBTL1TACR1
SCHEMBL27045431 0.72 TACR1 (0.54) MAPTKDM4EATML3MBTL1GPR119
SCHEMBL9533253 0.71 KMT2A (0.39) TACR1TACR3SCN9AKMT2A
SCHEMBL4221762 0.71 P2RX4 (0.41) MAPTL3MBTL1PKMP2RX4KMT2A
SCHEMBL24481837 0.70 TACR1 (0.46) MAPTKDM4EATML3MBTL1CHRNA7
SCHEMBL18151325 0.70 ATM (0.41) MAPTKDM4EATML3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G MAPT 4880/4885KDM4E 4044/4885ATM 3892/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G MAPT 4880/4885KDM4E 4044/4885ATM 3892/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.